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CHEMDIV-ZINC06752159

 MMsINC code: MMs01015300
Type: Neutral
Formula: C19H19N3O4S2
SMILES:   s1c2cc(S(=O)(=O)N(CC(=O)Nc3cc(ccc3)C(=O)C)C)ccc2nc1C
InChI:   InChI=1/C19H19N3O4S2/c1-12(23)14-5-4-6-15(9-14)21-19(24)11-22(3)28(25,26)16-7-8-17-18(10-16)27-13(2)20-17/h4-10H,11H2,1-3H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=82.8453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.51 g/mol  logS: -4.28454  SlogP: 3.06652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08081  Sterimol/B1: 2.12247  Sterimol/B2: 3.12788  Sterimol/B3: 4.50328
  Sterimol/B4: 10.8606  Sterimol/L: 16.0623 
 
 Surface and Volume Properties
  Accessible surface: 636.161  Positive charged surface: 357.619  Negative charged surface: 278.543  Volume: 364.5
  Hydrophobic surface: 483.181  Hydrophilic surface: 152.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.